[gmx-users] how to select index group in gmx hbond or any other command

Md. Imrul Reza Shishir imrul.reza.shishir at gmail.com
Wed Jun 14 03:02:23 CEST 2017


Dear all

I have to run gmx hbond command for several time. So i want to know is
there any command for gmx hbond like gmx distance (-select) to select
specific index group for analysis gmx hbond.

gmx hbond -f *.xtc -s *.tpr -n *.ndx -num *.xvg

for this command, I want to select different index group several time. I
want to make script file with all the command. Is it possible to add group
selection in the script file. Otherwise i have to select the group every
time in the terminal which is hilarious work for like 100 command.

-- 
*Md Imrul Reza Shishir*
Master Student
​​


More information about the gromacs.org_gmx-users mailing list